⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1762993 | 1.00 | — | — | |
| SCHEMBL1762990 | 1.00 | — | — | |
| SCHEMBL14409876 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15050062 | 0.97 | RAPGEF3 (0.30) | — | |
| SCHEMBL1049874 | 0.88 | ACHE (0.42) | — | |
| SCHEMBL16400892 | 0.88 | ACHE (0.42) | — | |
| SCHEMBL12604452 | 0.82 | — | — | |
| SCHEMBL12604449 | 0.82 | — | — | |
| SCHEMBL19416721 | 0.77 | KMT2A (0.38) | — | |
| SCHEMBL24233752 | 0.75 | PSEN1 (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759541-B2 | Chiral acyclic diaminocarbene ligands, precursors therefore and their use in organic synthesis reactions | THADANI AVINASH N (CA) | 2014-06-24 | — | — | US | disclosed |
| US-20110118475-A1 | CHIRAL ACYCLIC DIAMINOCARBENE LIGANDS, PRECURSORS THEREFORE AND THEIR USE IN ORGANIC SYNTHESIS REACTIONS | THADANI AVINASH N | 2011-05-19 | — | — | US | disclosed |
| WO-2010003226-A1 | CHIRAL ACYCLIC DIAMINOCARBENE LIGANDS, PRECURSORS THEREFORE AND THEIR USE IN ORGANIC SYNTHESIS REACTIONS | THADANI AVINASH N (CA) | 2010-01-14 | — | — | WO | disclosed |